SCHEMBL12728758

SCHEMBL12728758

CCOc1cc(N2CCC(C(N)=O)CC2)ccc1Nc1ncc(Br)c(Nc2ccccc2CNC)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 2/20 0.57
▸ ZAP70 P43403 3/20 0.57
▸ ALK Q9UM73 9/20 0.53
▸ EGFR P00533 4/20 0.51
▸ MAPK8 P45983 3/20 0.49
▸ MAPK9 P45984 3/20 0.49
▸ MAPK10 P53779 2/20 0.49
▸ PLK1 P53350 4/20 0.49
▸ IGF1R P08069 4/20 0.48
▸ INSR P06213 3/20 0.48
▸ PLK4 O00444 3/20 0.48
▸ DCLK1 O15075 3/20 0.48
▸ RPS6KA3 P51812 3/20 0.48
▸ PTK2 Q05397 3/20 0.48
▸ TNK2 Q07912 2/20 0.48
▸ LRRK2 Q5S007 2/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ MAPK7 Q13164 1/20 0.48
▸ TNK1 Q13470 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12728756 0.92 ZAP70 (0.66) ZAP70ALKEGFRMAPK8MAPK9
SCHEMBL12781155 0.87 ZAP70 (0.74) ULK1ZAP70ALKEGFRMAPK8
SCHEMBL12728746 0.85 ZAP70 (0.54) ULK1ZAP70ALKEGFRPLK1
SCHEMBL12728755 0.84 ZAP70 (0.64) ZAP70ALKEGFRMAPK8MAPK9
SCHEMBL12728753 0.84 ZAP70 (0.64) ZAP70ALKEGFRMAPK8MAPK9
SCHEMBL12728752 0.84 ZAP70 (0.63) ZAP70ALKEGFRMAPK8MAPK9
SCHEMBL12728751 0.83 ZAP70 (0.66) ZAP70ALKEGFRMAPK8MAPK9
SCHEMBL12728760 0.83 ZAP70 (0.66) ZAP70ALKEGFRMAPK8MAPK9
SCHEMBL12728761 0.83 ZAP70 (0.68) ZAP70ALKEGFRMAPK8MAPK9
SCHEMBL12728533 0.81 ZAP70 (0.59) ULK1ZAP70ALKEGFRMAPK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ULK1 2595/4885ZAP70 341/4885ALK 3384/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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